5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

C16H28N4O — CID 106503661

IUPAC5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCOc1ccc(N2CCCN(CCCCCN)CC2)nc1
InChIInChI=1S/C16H28N4O/c1-21-15-6-7-16(18-14-15)20-11-5-10-19(12-13-20)9-4-2-3-8-17/h6-7,14H,2-5,8-13,17H2,1H3
InChIKeySNRYZGNRWPIQAX-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.73
Rot. Bonds7

About 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine

5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (PubChem CID 106503661) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
PubChem CID106503661
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
SMILESCOc1ccc(N2CCCN(CCCCCN)CC2)nc1
InChIInChI=1S/C16H28N4O/c1-21-15-6-7-16(18-14-15)20-11-5-10-19(12-13-20)9-4-2-3-8-17/h6-7,14H,2-5,8-13,17H2,1H3
InChIKeySNRYZGNRWPIQAX-UHFFFAOYSA-N
XLogP1.73
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 43252517
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
CID 60870254
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
5-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-amine
CID 55079861
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
5-[4-(5-iodopyrimidin-2-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 116648245
5-[4-(3,5-difluoro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 115993891
3-[4-(5-bromo-4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 106997338
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64829856
3-[4-(6-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 61225492

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine (CID 106503661) is 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is COc1ccc(N2CCCN(CCCCCN)CC2)nc1.
What is the InChIKey of 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
The InChIKey is SNRYZGNRWPIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-21-15-6-7-16(18-14-15)20-11-5-10-19(12-13-20)9-4-2-3-8-17/h6-7,14H,2-5,8-13,17H2,1H3.
What are the key properties of 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine?
5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine has a molecular weight of 292.43 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-methoxy-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine is sourced from PubChem (CID 106503661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).